#include <algorithm>
#include <array>
#include <occ/core/linear_algebra.h>
#include <occ/core/parallel.h>
#include <unsupported/Eigen/CXX11/Tensor>

Include dependency graph for gemm.h:

Namespaces
namespace	occ

namespace	occ::qm
	quantum mechanics/quantum chemistry functionality including Hartree-Fock and more

namespace	occ::qm::cc

Functions
void	occ::qm::cc::pgemm (Eigen::Ref< occ::Mat > C, Eigen::Ref< const occ::Mat > A, Eigen::Ref< const occ::Mat > B, bool accumulate=false, bool transA=false)
	C(m x n) = A(m x k) * B(k x n).

Eigen::Map< const occ::Mat >	occ::qm::cc::mat_view (const Eigen::Tensor< double, 4 > &t, Eigen::Index r, Eigen::Index c)
	View a contiguous (column-major) 4-tensor's data as an (r x c) matrix.

template<int N>
void	occ::qm::cc::ppermute (double out, const double A, const Eigen::array< Eigen::Index, N > &Adims, const Eigen::array< int, N > &perm)
	Parallel tensor permute (transpose): writes contiguous `out` = A.shuffle(perm) – out has dims Odim[k] = Adims[perm[k]] and out(j...) = A(source).

Eigen::Tensor< double, 4 >	occ::qm::cc::pcon2 (const Eigen::Tensor< double, 4 > &A, int a0, int a1, const Eigen::Tensor< double, 4 > &B, int b0, int b1)
	Parallel two-index contraction of two 4-tensors – a drop-in, multithreaded replacement for `A.contract(B, {(a0,b0),(a1,b1)})`.

template<int RA, int RB, int NC>
Eigen::Tensor< double, RA+RB - 2 *NC >	occ::qm::cc::pcon (const Eigen::Tensor< double, RA > &A, const Eigen::Tensor< double, RB > &B, const std::array< Eigen::IndexPair< int >, NC > &pairs)
	General N-index parallel tensor contraction – a drop-in, multithreaded replacement for `A.contract(B, pairs)` that routes through pgemm (BLAS), so it parallelises where Eigen's tensor contract() (serial gebp_kernel) does not.

Namespaces

Functions